SCHEMBL14570547

SCHEMBL14570547

CC(=O)c1ccc(N2C[C@H](C)N(C)C[C@H]2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 5/20 0.41
ADAM17 P78536 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KCNJ1 P48048 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14598813 0.76 MAPT (0.50) MAPTLMNAHRH3NPC1RAB9A
SCHEMBL4940440 0.76 DRD2 (0.40) LMNAKMT2ACDK4CCND1MEN1
SCHEMBL12424155 0.76 MAPT (0.40) MAPTLMNAGFERNPC1RAB9A
SCHEMBL1048007 0.76 MAPT (0.40) MAPTLMNAGFERNPC1RAB9A
SCHEMBL1048008 0.76 MAPT (0.40) MAPTLMNAGFERNPC1RAB9A
SCHEMBL4940436 0.76 DRD2 (0.40) LMNAKMT2ACDK4CCND1MEN1
SCHEMBL13380438 0.75 MAPK1 (0.50) MAPTLMNAHRH3L3MBTL1CDK4
SCHEMBL14570543 0.75 HRH3 (0.48) LMNAHRH3L3MBTL1CDK4CCND1
Fumaric Acid SCHEMBL27669967 0.75 MDM2 (0.43) MAPTLMNAKMT2AL3MBTL1CDK4
SCHEMBL24123783 0.73 SIGMAR1 (0.37) MAPTLMNAKMT2ACDK4CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed